Structure Database (LMSD)
Common Name
WE 6:0/4:0(2ME)
Systematic Name
hexyl 2-methylbutanoate
Synonyms
3D model of WE 6:0/4:0(2ME)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prunus armeniaca
(#36596)
Magnoliopsida
(#3398)
Volatile constituents of apricot (Prunus armeniaca),
J Agric Food Chem, 1990
J Agric Food Chem, 1990
DOI:
10.1021/jf00092a031
String Representations
InChiKey (Click to copy)
YUECNVSODFDKOQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
SMILES (Click to copy)
CCC(C(OCCCCCC)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.44
Molar Refractivity
55.05
Admin
Created at
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Updated at
13th Nov 2025